Task 38646508

Name test_617-GPUGRID_TEST_ATM_1000_20261023-0-1-RND9386_0
Workunit 31591454
Created 23 Oct 2026, 16:38:30 UTC
Sent 23 Oct 2026, 18:00:12 UTC
Report deadline 28 Oct 2026, 18:00:12 UTC
Received 23 Oct 2026, 18:49:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 644456
Run time 47 min 26 sec
CPU time 45 min 27 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 6,878.75 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 670.30 MB
Peak swap size 3.09 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
20:02:13 (24040): wrapper (7.9.26016): starting
20:02:13 (24040): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
20:02:16 (24040): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:02:16 (24040): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
20:49:19 (24040): C:/Windows/system32/cmd.exe exited; CPU time 2727.015625
20:49:19 (24040): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 48342435 bytes.
Dumping objects ->
{3835427} normal block at 0x0000020BABF43F70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835416} normal block at 0x0000020BABF43F00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835405} normal block at 0x0000020BABF43E20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835394} normal block at 0x0000020BABF43D40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835383} normal block at 0x0000020BABF43E90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835352} normal block at 0x0000020BADB75130, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835339} normal block at 0x0000020BABF3EF10, 8 bytes long.
 Data: <  &#236;&#171;    > 00 00 EC AB 0B 02 00 00 
{3833957} normal block at 0x0000020BABF3F550, 8 bytes long.
 Data: < 7 &#173;    > 80 37 BD AD 0B 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000020BABF30450, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020BABF2F4F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000020BABF45430, 16 bytes long.
 Data: <&#168;^&#244;&#171;            > A8 5E F4 AB 0B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020BABF44CB0, 16 bytes long.
 Data: < ^&#244;&#171;            > 80 5E F4 AB 0B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020BABF40640, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000020BABF45AC0, 16 bytes long.
 Data: <X^&#244;&#171;            > 58 5E F4 AB 0B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020BABF45840, 16 bytes long.
 Data: <0^&#244;&#171;            > 30 5E F4 AB 0B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020BABF44DA0, 16 bytes long.
 Data: < ^&#244;&#171;            > 08 5E F4 AB 0B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020BABF457F0, 16 bytes long.
 Data: <&#224;]&#244;&#171;            > E0 5D F4 AB 0B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020BABF44130, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000020BABF45A70, 16 bytes long.
 Data: <h;&#244;&#171;            > 68 3B F4 AB 0B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020BABF40A00, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000020BABF45750, 16 bytes long.
 Data: <@;&#244;&#171;            > 40 3B F4 AB 0B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020BABF44EE0, 16 bytes long.
 Data: < ;&#244;&#171;            > 18 3B F4 AB 0B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020BABF45700, 16 bytes long.
 Data: <&#240;:&#244;&#171;            > F0 3A F4 AB 0B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020BABF44BC0, 16 bytes long.
 Data: <&#200;:&#244;&#171;            > C8 3A F4 AB 0B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020BABF45610, 16 bytes long.
 Data: <&#160;:&#244;&#171;            > A0 3A F4 AB 0B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020BABF45520, 16 bytes long.
 Data: <x:&#244;&#171;            > 78 3A F4 AB 0B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020BABF3FF80, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000020BABF44E40, 16 bytes long.
 Data: <P:&#244;&#171;            > 50 3A F4 AB 0B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020BABF43A50, 320 bytes long.
 Data: <@N&#244;&#171;      &#243;&#171;    > 40 4E F4 AB 0B 02 00 00 80 FF F3 AB 0B 02 00 00 
{274} normal block at 0x0000020BABF456B0, 16 bytes long.
 Data: <&#192;]&#244;&#171;            > C0 5D F4 AB 0B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020BABF459D0, 16 bytes long.
 Data: < ]&#244;&#171;            > 98 5D F4 AB 0B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020BABF40940, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000020BABF453E0, 16 bytes long.
 Data: <p]&#244;&#171;            > 70 5D F4 AB 0B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020BABF407C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000020BABF45980, 16 bytes long.
 Data: <&#184;\&#244;&#171;            > B8 5C F4 AB 0B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020BABF457A0, 16 bytes long.
 Data: < \&#244;&#171;            > 90 5C F4 AB 0B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020BABF454D0, 16 bytes long.
 Data: <h\&#244;&#171;            > 68 5C F4 AB 0B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020BABF45390, 16 bytes long.
 Data: <@\&#244;&#171;            > 40 5C F4 AB 0B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020BABF44E90, 16 bytes long.
 Data: < \&#244;&#171;            > 18 5C F4 AB 0B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020BABF45020, 16 bytes long.
 Data: <&#240;[&#244;&#171;            > F0 5B F4 AB 0B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020BABF455C0, 16 bytes long.
 Data: <P@&#244;&#171;            > 50 40 F4 AB 0B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020BABF44050, 40 bytes long.
 Data: <&#192;U&#244;&#171;    0Q&#183;&#173;    > C0 55 F4 AB 0B 02 00 00 30 51 B7 AD 0B 02 00 00 
{260} normal block at 0x0000020BABF45480, 16 bytes long.
 Data: <&#208;[&#244;&#171;            > D0 5B F4 AB 0B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020BABF452F0, 16 bytes long.
 Data: <&#168;[&#244;&#171;            > A8 5B F4 AB 0B 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020BABF40E20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000020BABF45660, 16 bytes long.
 Data: < [&#244;&#171;            > 80 5B F4 AB 0B 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000020BABF45B80, 992 bytes long.
 Data: <`V&#244;&#171;      &#244;&#171;    > 60 56 F4 AB 0B 02 00 00 20 0E F4 AB 0B 02 00 00 
{92} normal block at 0x0000020BABF40DC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x0000020BABF3F2D0, 16 bytes long.
 Data: <@&#197;&#242;&#171;            > 40 C5 F2 AB 0B 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000020BABF2C540, 40 bytes long.
 Data: <&#208;&#242;&#243;&#171;    &#192; &#244;&#171;    > D0 F2 F3 AB 0B 02 00 00 C0 0D F4 AB 0B 02 00 00 
{69} normal block at 0x0000020BABF3F190, 16 bytes long.
 Data: < &#234; '&#246;           > 80 EA 04 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020BABF3FE10, 16 bytes long.
 Data: <@&#233; '&#246;           > 40 E9 04 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020BABF3F0A0, 16 bytes long.
 Data: <&#248;W '&#246;           > F8 57 01 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020BABF3FD70, 16 bytes long.
 Data: <&#216;W '&#246;           > D8 57 01 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020BABF3F870, 16 bytes long.
 Data: <P  '&#246;           > 50 04 01 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020BABF3F640, 16 bytes long.
 Data: <0  '&#246;           > 30 04 01 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020BABF3F9B0, 16 bytes long.
 Data: <&#224;  '&#246;           > E0 02 01 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020BABF3F780, 16 bytes long.
 Data: <   '&#246;           > 10 04 01 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020BABF3F960, 16 bytes long.
 Data: <p  '&#246;           > 70 04 01 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020BABF3FD20, 16 bytes long.
 Data: < &#192; &&#246;           > 18 C0 FF 26 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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